Geometry & MOs

Info

ID:	71819
PubChem CID:	48415503
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	3.74
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations